4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole

C8H11F3N2 — CID 168761977

IUPAC4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCC(C)C1=NC(CC(F)(F)F)N=C1
InChIInChI=1S/C8H11F3N2/c1-5(2)6-4-12-7(13-6)3-8(9,10)11/h4-5,7H,3H2,1-2H3
InChIKeyMDPOWUDBTRZYAE-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.45
Rot. Bonds2

About 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole

4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole (PubChem CID 168761977) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole
PubChem CID168761977
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCC(C)C1=NC(CC(F)(F)F)N=C1
InChIInChI=1S/C8H11F3N2/c1-5(2)6-4-12-7(13-6)3-8(9,10)11/h4-5,7H,3H2,1-2H3
InChIKeyMDPOWUDBTRZYAE-UHFFFAOYSA-N
XLogP2.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole?
The IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole (CID 168761977) is 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole?
The canonical SMILES for 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole is CC(C)C1=NC(CC(F)(F)F)N=C1.
What is the InChIKey of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole?
The InChIKey is MDPOWUDBTRZYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)6-4-12-7(13-6)3-8(9,10)11/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole?
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole has a molecular weight of 192.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole is sourced from PubChem (CID 168761977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).